SCHEMBL1975366

SCHEMBL1975366

Cc1c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)n(-c2ccccc2)c(=O)c1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.53
TACR3 P29371 10/20 0.49
RIPK1 Q13546 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
TOP2A P11388 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
PPARG P37231 1/20 0.37
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1975594 0.94 CYP2C9 (0.52) CYP2C9TACR3RIPK1SMYD3ALDH1A1
SCHEMBL1975827 0.93 CYP2C9 (0.51) CYP2C9TACR3RIPK1SMYD3ALDH1A1
SCHEMBL1973293 0.92 CYP2C9 (0.51) CYP2C9TACR3RIPK1SMYD3ALDH1A1
SCHEMBL1979352 0.90 CYP2C9 (0.49) CYP2C9TACR3RIPK1SMYD3ALDH1A1
SCHEMBL1974247 0.90 CYP2C9 (0.49) CYP2C9TACR3RIPK1SMYD3ALDH1A1
SCHEMBL1973987 0.90 CYP2C9 (0.49) CYP2C9TACR3RIPK1SMYD3ALDH1A1
SCHEMBL1973905 0.87 CYP2C9 (0.51) CYP2C9TACR3RIPK1SMYD3ALDH1A1
SCHEMBL1943161 0.87 CYP2C9 (0.51) CYP2C9TACR3RIPK1SMYD3ALDH1A1
SCHEMBL2008641 0.87 CYP2C9 (0.48) CYP2C9TACR3RIPK1SMYD3ALDH1A1
SCHEMBL1976621 0.86 CYP2C9 (0.47) CYP2C9TACR3RIPK1SMYD3ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 US claimed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 WO disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 US disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 US disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110144164-A1 Pyridone derivatives as NK3 antagonists KCNK3, GRIK3, KCND3 CYP2C9 2501/4885TACR3 26/4885RIPK1 2095/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.